F3139-1881
Basic information
- CAS
6143-22-2- Standard SMILES
COc1ccccc1-c1c(C(F)(F)F)oc2c(CN3CCCC3)c(O)ccc2c1=O- InChIKey
ZDQICKRKULYNGS-UHFFFAOYSA-N- Molecular formula
- C22H20F3NO4
- Average molar mass
- 419.4 g/mol
- Monoisotopic mass
- 419.13444261
Names & identifiers
- Preferred name
- F3139-1881
- IUPAC
- 7-hydroxy-3-(2-methoxyphenyl)-8-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one
Names & synonyms
6143-22-2F3139-1881DTXSID00415796RefChem:345393DTXCID70366645303119-51-97-hydroxy-3-(2-methoxyphenyl)-8-(1-pyrrolidinylmethyl)-2-(trifluoromethyl)-4H-chromen-4-one7-hydroxy-3-(2-methoxyphenyl)-8-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)-4H-chromen-4-one7-hydroxy-3-(2-methoxyphenyl)-8-[(pyrrolidin-1-yl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one7-Hydroxy-3-(2-methoxyphenyl)-8-[(pyrrolidin-1-yl)methyl]-2-(trifluoromethyl)-4H-1-benzopyran-4-oneCBMicro_0018957-hydroxy-3-(2-methoxyphenyl)-8-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one
Show more names
SMSF0015123STK923218AKOS000540309CB03354CCG-107059BIM-0001624.P001ST50071942UNM000000558001
Database identifiers
- CAS
6143-22-2- PubChem CID
- 5322239
- DTXSID
DTXSID00415796
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 674
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Compound notes
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